8CM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4A | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C1A | sing | 1.39Å | 1.43Å | Aromatic |
| C8 | O8 | sing | 1.36Å | 1.38Å | |
| C1A | C4A | doub | 1.41Å | 1.42Å | Aromatic |
| C1A | O1 | sing | 1.35Å | 1.41Å | Aromatic |
| C4A | C4 | sing | 1.47Å | 1.49Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.34Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.41Å | 1.52Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | O1 | sing | 1.34Å | 1.43Å | Aromatic |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4A | 120.3° | 119.7° |
| C6 | C5 | H5 | 119.9° | 120.2° |
| C5 | C6 | C7 | 120.6° | 120.4° |
| C5 | C6 | H6 | 119.7° | 119.8° |
| C4A | C5 | H5 | 119.8° | 120.1° |
| C5 | C4A | C1A | 119.1° | 120.0° |
| C5 | C4A | C4 | 124.0° | 121.0° |
| C7 | C6 | H6 | 119.7° | 119.8° |
| C6 | C7 | C8 | 120.2° | 120.6° |
| C6 | C7 | H7 | 119.9° | 119.7° |
| C8 | C7 | H7 | 119.9° | 119.7° |
| C7 | C8 | C1A | 119.0° | 119.9° |
| C7 | C8 | O8 | 120.4° | 120.0° |
| C1A | C8 | O8 | 120.5° | 120.1° |
| C8 | C1A | C4A | 120.7° | 119.4° |
| C8 | C1A | O1 | 115.4° | 120.7° |
| C8 | O8 | HO8 | 109.5° | 106.9° |
| C4A | C1A | O1 | 124.0° | 119.8° |
| C1A | C4A | C4 | 116.9° | 119.0° |
| C1A | O1 | C2 | 118.9° | 121.5° |
| C4A | C4 | C3 | 120.7° | 118.2° |
| C4A | C4 | H4 | 119.6° | 120.9° |
| C3 | C4 | H4 | 119.6° | 120.9° |
| C4 | C3 | C2 | 121.6° | 119.8° |
| C4 | C3 | H3 | 119.2° | 120.1° |
| C2 | C3 | H3 | 119.2° | 120.1° |
| C3 | C2 | O1 | 117.9° | 121.7° |
| C3 | C2 | O2 | 125.2° | 119.1° |
| O1 | C2 | O2 | 117.0° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4A | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| C6 | C5 | C4A | C1A | 0.1° | 0.2° |
| C6 | C5 | C4A | C4 | 180.0° | 180.0° |
| C4A | C5 | C6 | C7 | 0.1° | 0.0° |
| C4A | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4A | C1A | C8 | 0.2° | 0.5° |
| C5 | C4A | C1A | C4 | 179.9° | 179.8° |
| C5 | C4A | C1A | O1 | 179.7° | 179.8° |
| C5 | C4A | C4 | C3 | 179.8° | 180.0° |
| C5 | C4A | C4 | H4 | 0.2° | 0.1° |
| H5 | C5 | C6 | C7 | 179.9° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H5 | C5 | C4A | C1A | 179.9° | 179.8° |
| H5 | C5 | C4A | C4 | 0.0° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C1A | 0.3° | 0.2° |
| C6 | C7 | C8 | O8 | 179.5° | 180.0° |
| H6 | C6 | C7 | C8 | 179.8° | 180.0° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| C7 | C8 | C1A | O8 | 179.8° | 179.8° |
| C7 | C8 | C1A | C4A | 0.3° | 0.5° |
| C7 | C8 | C1A | O1 | 179.8° | 179.8° |
| C7 | C8 | O8 | HO8 | 2.3° | 90.0° |
| H7 | C7 | C8 | C1A | 179.7° | 179.8° |
| H7 | C7 | C8 | O8 | 0.5° | 0.0° |
| C8 | C1A | C4A | O1 | 179.5° | 179.4° |
| C8 | C1A | C4A | C4 | 179.9° | 179.8° |
| C8 | C1A | O1 | C2 | 179.9° | 179.7° |
| C1A | C8 | O8 | HO8 | 177.4° | 90.2° |
| O8 | C8 | C1A | C4A | 179.5° | 179.7° |
| O8 | C8 | C1A | O1 | 0.1° | 0.4° |
| C1A | C4A | C4 | C3 | 0.2° | 0.2° |
| C1A | C4A | C4 | H4 | 179.7° | 179.8° |
| C4A | C1A | O1 | C2 | 0.3° | 0.4° |
| O1 | C1A | C4A | C4 | 0.4° | 0.4° |
| C1A | O1 | C2 | C3 | 0.2° | 0.1° |
| C1A | O1 | C2 | O2 | 180.0° | 179.8° |
| C4A | C4 | C3 | H4 | 180.0° | 180.0° |
| C4A | C4 | C3 | C2 | 0.2° | 0.0° |
| C4A | C4 | C3 | H3 | 179.8° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | O1 | 0.1° | 0.1° |
| C4 | C3 | C2 | O2 | 179.9° | 180.0° |
| H4 | C4 | C3 | C2 | 179.8° | 179.9° |
| H4 | C4 | C3 | H3 | 0.2° | 0.0° |
| C3 | C2 | O1 | O2 | 179.8° | 179.9° |
| H3 | C3 | C2 | O1 | 179.8° | 180.0° |
| H3 | C3 | C2 | O2 | 0.1° | 0.1° |
